CHEBI:188366 - vitispirane

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name vitispirane
ChEBI ID CHEBI:188366
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H20O
Net Charge 0
Average Mass 192.302
Monoisotopic Mass 192.15142
InChI InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
InChIKey DUPDJVDPPBFBPL-UHFFFAOYSA-N
SMILES O1C2(C(CC=CC2=C)(C)C)CCC1C
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine (NCIT:C66822). See: MetaboLights Study
ChEBI Ontology
Outgoing vitispirane (CHEBI:188366) is a oxolanes (CHEBI:26912)
IUPAC Name
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
Manual Xrefs Databases
4953381 ChemSpider
HMDB0036818 HMDB
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Registry Number Type Source
65416-59-3 CAS Registry Number ChemIDplus